Vitas-M small molecule compound
(7E)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-7-(4-fluorobenzylidene)-9-methyl-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one
Catalog ID
STK646021
SMILES Fc1ccc(cc1)/C=C\1/Oc2c(C1=O)cc1c(c2C)OCN(C1)C1CCS(=O)(=O)C1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20FNO5S MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5S/c1-13-21-15(10-24(12-28-21)17-6-7-30(26,27)11-17)9-18-20(25)19(29-22(13)18)8-14-2-4-16(23)5-3-14/h2-5,8-9,17H,6-7,10-12H2,1H3/b19-8+InChIKey
AWWDXSOOSHHADS-UFWORHAWSA-NSynonyms
1021078-15-8(7E)3(11dioxidotetrahydrothiophen3yl)7(4fluorobenzylidene)9methyl34dihydro2Hfuro(32g)(13)benzoxazin6(7H)one
(7E)3(11dioxothiolan3yl)7((4fluorophenyl)methylidene)9methyl24dihydrofuro(32g)(13)benzoxazin6one
(E)3(11dioxidotetrahydrothiophen3yl)7(4fluorobenzylidene)9methyl34dihydro2Hbenzofuro(56e)(13)oxazin6(7H)one
1021078158
CC1=C2C(=CC3=C1OCN(C3)C4CCS(=O)(=O)C4)C(=O)C(=CC5=CC=C(C=C5)F)O2
Fc1ccc(cc1)C=C1Oc2c(C1=O)cc1c(c2C)OCN(C1)C1CCS(=O)(=O)C1
InChI=1SC22H20FNO5Sc1132115(1024(122821)176730(2627)1117)91820(25)19(2922(13)18)8142416(23)5314h258917H671012H21H3b198+
MFCD12201296
ZINC000057176060
ZINC000057176061
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